ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate

C20H17ClN4O5 — CID 22647655

IUPACethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)NC(=O)c2ccc3nccnc3c2)cc1Cl
InChIInChI=1S/C20H17ClN4O5/c1-2-29-18(26)11-30-17-6-4-13(10-14(17)21)24-20(28)25-19(27)12-3-5-15-16(9-12)23-8-7-22-15/h3-10H,2,11H2,1H3,(H2,24,25,27,28)
InChIKeyGUYQJERYFXDNRD-UHFFFAOYSA-N
MW428.83 g/mol
LogP3.19
Rot. Bonds6

About ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate

ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate (PubChem CID 22647655) has the molecular formula C20H17ClN4O5 and a molecular weight of 428.83 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate
PubChem CID22647655
Molecular FormulaC20H17ClN4O5
Molecular Weight428.83 g/mol
Exact Mass428.09
IUPAC Nameethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)NC(=O)c2ccc3nccnc3c2)cc1Cl
InChIInChI=1S/C20H17ClN4O5/c1-2-29-18(26)11-30-17-6-4-13(10-14(17)21)24-20(28)25-19(27)12-3-5-15-16(9-12)23-8-7-22-15/h3-10H,2,11H2,1H3,(H2,24,25,27,28)
InChIKeyGUYQJERYFXDNRD-UHFFFAOYSA-N
XLogP3.19
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 135486159
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
propan-2-yl 2-chloro-5-(quinoxaline-6-carbonylcarbamoylamino)benzoate
CID 10179937
2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
CID 69463704
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-[3-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetic acid
CID 10222644
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 10272063
4-[3-chloro-4-(2-ethoxy-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 14878288
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate (CID 22647655) is ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)NC(=O)c2ccc3nccnc3c2)cc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate?
The InChIKey is GUYQJERYFXDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O5/c1-2-29-18(26)11-30-17-6-4-13(10-14(17)21)24-20(28)25-19(27)12-3-5-15-16(9-12)23-8-7-22-15/h3-10H,2,11H2,1H3,(H2,24,25,27,28).
What are the key properties of ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate?
ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate has a molecular weight of 428.83 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate is sourced from PubChem (CID 22647655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).